Web30 nov. 2002 · Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS) and IR carbonyl group wave numbers [ν(C3═O)] were studied using dual substituent parameter (DSP) models for 5-substituted indole-2,3-diones. For the C7 atom a reverse substituent effect attributed to extended π-polarization was observed. … Web31 okt. 2024 · u = n × 2 + 2 − m 2 = 16 × 2 + 2 − 16 2 = 9. Based on X 1 X 2 2 1 H - N M R, you correctly proposed that there are two mono-substituted aromatic nuclei in the …
Dual Substituent Parameter Modeling of Theoretical, NMR and IR …
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How to interpret NMR spectra - University of Texas at Austin
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